N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]bicyclo[3.1.0]hexane-6-carboxamide

C19H27NO2 — CID 111750704

IUPACN-[2-(4-tert-butylphenyl)-2-hydroxyethyl]bicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)(C)c1ccc(C(O)CNC(=O)C2C3CCCC32)cc1
InChIInChI=1S/C19H27NO2/c1-19(2,3)13-9-7-12(8-10-13)16(21)11-20-18(22)17-14-5-4-6-15(14)17/h7-10,14-17,21H,4-6,11H2,1-3H3,(H,20,22)
InChIKeyHTJPHTXLGPPWSS-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.18
Rot. Bonds4

About N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]bicyclo[3.1.0]hexane-6-carboxamide

N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]bicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 111750704) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]bicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenyl)-2-hydroxyethyl]bicyclo[3.1.0]hexane-6-carboxamide
PubChem CID111750704
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC NameN-[2-(4-tert-butylphenyl)-2-hydroxyethyl]bicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)(C)c1ccc(C(O)CNC(=O)C2C3CCCC32)cc1
InChIInChI=1S/C19H27NO2/c1-19(2,3)13-9-7-12(8-10-13)16(21)11-20-18(22)17-14-5-4-6-15(14)17/h7-10,14-17,21H,4-6,11H2,1-3H3,(H,20,22)
InChIKeyHTJPHTXLGPPWSS-UHFFFAOYSA-N
XLogP3.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 71979033
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]piperidine-3-carboxamide
CID 119328668
1-(4-tert-butylphenyl)-2-(cyclopropylamino)ethanol
CID 62775298
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-6-oxopiperidine-3-carboxamide
CID 111422615
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 111750736
1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-ethylurea
CID 111422305
1-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]cyclopropane-1-carboxamide
CID 119792619
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
CID 119525798
1-[4-[[2-(4-tert-butylphenyl)-2-hydroxyethyl]amino]piperidin-1-yl]ethanone
CID 111422185
(1R,5S)-N-[(2S)-2-(2,4-dichlorophenyl)-2-hydroxyethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 97076703
(1R,5S)-N-[(2R)-2-(2,4-dichlorophenyl)-2-hydroxyethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 97076704
3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]butanamide
CID 119792655

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]bicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]bicyclo[3.1.0]hexane-6-carboxamide (CID 111750704) is N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]bicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]bicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]bicyclo[3.1.0]hexane-6-carboxamide is CC(C)(C)c1ccc(C(O)CNC(=O)C2C3CCCC32)cc1.
What is the InChIKey of N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]bicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is HTJPHTXLGPPWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2/c1-19(2,3)13-9-7-12(8-10-13)16(21)11-20-18(22)17-14-5-4-6-15(14)17/h7-10,14-17,21H,4-6,11H2,1-3H3,(H,20,22).
What are the key properties of N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]bicyclo[3.1.0]hexane-6-carboxamide?
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]bicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 301.43 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]bicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 111750704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).